3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol

C14H27NO — CID 103529231

IUPAC3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCC2CCCCC2)C1
InChIInChI=1S/C14H27NO/c16-14-7-6-13(10-14)11-15-9-8-12-4-2-1-3-5-12/h12-16H,1-11H2
InChIKeySBHDGCGRKSOCPC-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds5

About 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol

3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol (PubChem CID 103529231) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
PubChem CID103529231
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCC2CCCCC2)C1
InChIInChI=1S/C14H27NO/c16-14-7-6-13(10-14)11-15-9-8-12-4-2-1-3-5-12/h12-16H,1-11H2
InChIKeySBHDGCGRKSOCPC-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
CID 115207859
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
3-[(3-hydroxycyclopentyl)methylamino]propanenitrile
CID 106129878
3-[(but-3-enylamino)methyl]cyclopentan-1-ol
CID 106128983
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
CID 106129726

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol (CID 103529231) is 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCCC2CCCCC2)C1.
What is the InChIKey of 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol?
The InChIKey is SBHDGCGRKSOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c16-14-7-6-13(10-14)11-15-9-8-12-4-2-1-3-5-12/h12-16H,1-11H2.
What are the key properties of 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol?
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).